6 papers
Twisted bilayer graphene from first-principles: structural and electronic properties
Albert Zhu, Daniel Bennett, Daniel T. Larson +3
We present a comprehensive first-principles study of twisted bilayer graphene (tBLG) for a wide range of twist angles, with a focus on structural and electronic properties. By empl…
Wavefunction textures in twisted bilayer graphene from first principles
Albert Zhu, Daniel Bennett, Daniel T. Larson +3
Motivated by recent experiments probing the wavefunctions of magic-angle twisted bilayer graphene (tBLG), we perform large-scale first-principles calculations of tBLG with full ato…
Switching topological states via uniaxial strain in 2D materials
Joshua J. Sanchez, Raagya Aurora, Daniel Bennett +3
In topological materials, dissipationless edge currents are protected against local defect scattering by the bulk inverted band structure and band gap. We propose that large uniaxi…
Universal Symmetries in Twisted Moiré Materials
Mohammed M. Al Ezzi, Albert Zhu, Daniel Bennett +2
Two-dimensional multi-layer materials with an induced moiré pattern, either due to strain or relative twist between layers, provide a versatile platform for exploring strongly cor…
Stacking-dependent electronic structure of ultrathin perovskite bilayers
Daniel T. Larson, Daniel Bennett, Abduhla Ali +4
Twistronics has received much attention as a new method to manipulate the properties of 2D van der Waals structures by introducing moiré patterns through a relative rotation betwe…
Accurate and efficient localized basis sets for two-dimensional materials
Daniel Bennett, Michele Pizzochero, Javier Junquera +1
First-principles density functional theory (DFT) codes which employ a localized basis offer advantages over those which use plane-wave bases, such as better scaling with system siz…